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PubMed code 15713406

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM31653
PNG
(CHEMBL421109 | imidazole-dioxolane, 5)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m0/s1
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Article
PubMed
n/an/a 520n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM31655
PNG
(CHEMBL179494 | imidazole-dioxolane, 7)
Show SMILES Nc1cccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1 |r|
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22+/m0/s1
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PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM31654
PNG
(CHEMBL368045 | imidazole-dioxolane, 6)
Show SMILES Nc1ccccc1SC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-7-5-17(6-8-18)9-10-22(15-26-12-11-25-16-26)27-13-19(28-22)14-29-21-4-2-1-3-20(21)24/h1-8,11-12,16,19H,9-10,13-15,24H2/t19-,22+/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50161588
PNG
(3-{(2S,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1cccc(SC[C@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22+/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM31653
PNG
(CHEMBL421109 | imidazole-dioxolane, 5)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 2 from rat brain


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50161590
PNG
(2-{(2S,4S)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccccc1SC[C@@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-7-5-17(6-8-18)9-10-22(15-26-12-11-25-16-26)27-13-19(28-22)14-29-21-4-2-1-3-20(21)24/h1-8,11-12,16,19H,9-10,13-15,24H2/t19-,22-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50044424
PNG
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50161586
PNG
(4-{(2S,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 2 from rat brain


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50161586
PNG
(4-{(2S,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50044424
PNG
(4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...)
Show SMILES Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 2 from rat brain


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM31655
PNG
(CHEMBL179494 | imidazole-dioxolane, 7)
Show SMILES Nc1cccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1 |r|
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22+/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 2 from rat brain


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50161588
PNG
(3-{(2S,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1cccc(SC[C@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22+/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 2 from rat brain


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50044425
PNG
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM31654
PNG
(CHEMBL368045 | imidazole-dioxolane, 6)
Show SMILES Nc1ccccc1SC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-7-5-17(6-8-18)9-10-22(15-26-12-11-25-16-26)27-13-19(28-22)14-29-21-4-2-1-3-20(21)24/h1-8,11-12,16,19H,9-10,13-15,24H2/t19-,22+/m0/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 2 from rat brain


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50161590
PNG
(2-{(2S,4S)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccccc1SC[C@@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-7-5-17(6-8-18)9-10-22(15-26-12-11-25-16-26)27-13-19(28-22)14-29-21-4-2-1-3-20(21)24/h1-8,11-12,16,19H,9-10,13-15,24H2/t19-,22-/m0/s1
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n/an/a 6.80E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 2 from rat brain


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50161587
PNG
(3-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1cccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 2 from rat brain


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50161589
PNG
(2-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccccc1SC[C@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-7-5-17(6-8-18)9-10-22(15-26-12-11-25-16-26)27-13-19(28-22)14-29-21-4-2-1-3-20(21)24/h1-8,11-12,16,19H,9-10,13-15,24H2/t19-,22-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 2 from rat brain


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50161591
PNG
(2-{(2S,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccccc1SC[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-7-5-17(6-8-18)9-10-22(15-26-12-11-25-16-26)27-13-19(28-22)14-29-21-4-2-1-3-20(21)24/h1-8,11-12,16,19H,9-10,13-15,24H2/t19-,22+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50044425
PNG
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 2 from rat brain


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50161589
PNG
(2-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccccc1SC[C@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-7-5-17(6-8-18)9-10-22(15-26-12-11-25-16-26)27-13-19(28-22)14-29-21-4-2-1-3-20(21)24/h1-8,11-12,16,19H,9-10,13-15,24H2/t19-,22-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Rattus norvegicus (rat))
BDBM50161591
PNG
(2-{(2S,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1ccccc1SC[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-7-5-17(6-8-18)9-10-22(15-26-12-11-25-16-26)27-13-19(28-22)14-29-21-4-2-1-3-20(21)24/h1-8,11-12,16,19H,9-10,13-15,24H2/t19-,22+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 2 from rat brain


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50161587
PNG
(3-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)
Show SMILES Nc1cccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1
Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/t20-,22-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against heme oxygenase 1 from rat spleen


Bioorg Med Chem Lett 15: 1457-61 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.075
BindingDB Entry DOI: 10.7270/Q29886HD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%